UCSF

ZINC31962788

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.32 0.6 -93.12 4 7 0 113 278.312 4
Hi High (pH 8-9.5) -0.32 0.2 -60.25 3 7 -1 111 277.304 4
Mid Mid (pH 6-8) -0.32 1.05 -119.26 5 7 1 114 279.32 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )